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BioLiP

PDB CCD ID: QQ0
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O3 S2
InChI: InChI=1S/C10H13NO3S2/c1-11(6-7-15)16(13,14)10-4-2-9(8-12)3-5-10/h2-5,8,15H,6-7H2,1H3
InChIKey: KNWFTJYSHVWZRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CN(CCS)S(=O)(=O)c1ccc(cc1)C=O
CACTVS 3.385CN(CCS)[S](=O)(=O)c1ccc(C=O)cc1
Name:4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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